4,6-Dichloro-2-(methylthio)pyrimidine

Base Information

• Chemical Name: 4,6-Dichloro-2-(methylthio)pyrimidine
• CAS No.: 6299-25-8
• Molecular Formula: C5H4Cl2N2S
• Molecular Weight: 195.072
• Hs Code.: 29335990
• European Community (EC) Number: 228-577-6
• NSC Number: 44560
• UNII: 2Q28U6BR6A
• DSSTox Substance ID: DTXSID10212197
• Nikkaji Number: J206.869I
• Wikidata: Q72466995
• Mol file: 6299-25-8.mol

Synonyms:4,6-Dichloro-2-(methylthio)pyrimidine;6299-25-8;4,6-Dichloro-2-methylmercaptopyrimidine;4,6-Dichloro-2-methylsulfanyl-pyrimidine;4,6-Dichloro-2-methylthiopyrimidine;Pyrimidine, 4,6-dichloro-2-(methylthio)-;4,6-dichloro-2-methylsulfanylpyrimidine;4,6-Dichloro-2-(methylsulfanyl)pyrimidine;4,6-Dichloropyrimidine methyl sulphide;C5H4Cl2N2S;4,6-Dichloro-2-Methylthio Pyrimidine;2Q28U6BR6A;EINECS 228-577-6;2-Methylthio-4,6-dichloropyrimidine;NSC-44560;NSC44560;4,6-dichloro-2-(methylthio)-pyrimidine;UNII-2Q28U6BR6A;SCHEMBL62021;C5-H4-Cl2-N2-S;DTXSID10212197;BCP11275;STR05588;MFCD00006086;NSC 44560;4,6-dichloro-2-methylthio-pyrimidine;46-Dichloro-2-(methylthio)pyrimidine;AKOS000264991;2-(Methylthio)-4,6-dichloropyrimidine;AC-3161;CS-W009165;PS-4679;Pyrimidine,6-dichloro-2-(methylthio)-;SB57236;4,6-dichloro-2-(methyl thio)pyrimidine;A8698;AM20090024;D2533;FT-0602396;4,6-Dichloro-2-(methylsulfanyl)pyrimidine #;4,6-Dichloro-2-(methylthio)pyrimidine, 98%;EN300-26965;W-104945;Z235485470;HX5

Chemical Property of 4,6-Dichloro-2-(methylthio)pyrimidine

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 0.00553mmHg at 25°C
• Melting Point: 38-42 °C(lit.)
• Refractive Index: 1.62
• Boiling Point: 267 °C at 760 mmHg
• PKA: -4.86±0.30(Predicted)
• Flash Point: 115.3 °C
• PSA: 51.08000
• Density: 1.57 g/cm³
• LogP: 2.50530
• Storage Temp.: Freezer
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.9472247
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dichloro-2-(methylthio)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=CC(=N1)Cl)Cl
• Uses: 4,6-Dichloro-2-(methylthio)pyrimidine (cas# 6299-25-8) is a compound useful in organic synthesis.

Technology Process of 4,6-Dichloro-2-(methylthio)pyrimidine

There total 8 articles about 4,6-Dichloro-2-(methylthio)pyrimidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

4,6-dihydroxy-2-methylmercaptopyrimidine (1979-98-2) → 4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; at 0 ℃; for 2.5h; Heating / reflux;

Reference yield: 92.0%

4,6-dihydroxy-2-mercaptopyrimidine (504-17-6,157796-99-1,924832-30-4) + methyl iodide (74-88-4) → 4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8)

Guidance literature:

4,6-dihydroxy-2-mercaptopyrimidine; methyl iodide; With sodium hydroxide; In ethanol; at 60 ℃; for 2h;

With trichlorophosphate; at 106 ℃; for 20h;

DOI:10.24820/ARK.5550190.P011.184dummy2

Reference yield:

→ 4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

4,6-dihydroxy-2-methylmercaptopyrimidine

2,4-dihydroxy-2-methylmercaptopyrimidine (keto tautomer)

phosphorus pentachloride

trichlorophosphate

Downstream raw materials:

4-chloro-2-(methylthio)-6-<(2,3-dimethylphenyl)oxy>pyrimidine

(6-Chloro-2-methylsulfanyl-pyrimidin-4-yl)-(2,3-dimethyl-phenyl)-methyl-amine

6--4-chloro-2-(methylthio)pyrimidine

6-chloro-N-(2,3-dimethylphenyl)-2-(methylsulfanyl)pyrimidin-4-amine

Refernces

• 1、 Kalogirou, Andreas S.,Koutentis, Panayiotis A.. "Synthesis of 4,5,6-trichloropyrimidine-2-carbonitrile from 4,6-dichloro-2-(methylthio)pyrimidine". . . Retrieved 2020/09/07.
• 2、 Huang, Tong-Hui,Zhou, Shan-Shan,Wu, Xin,An, Lin,Yin, Xiao-Xing. "Convenient synthesis of 2-(methylsulfonyl)pyrimidine derivatives". supporting information. p. 714 - 720. Retrieved 2018/02/16.